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1HVR
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BU of 1hvr by Molmil
RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS
分子名称: HIV-1 PROTEASE, [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE
著者Chang, C.-H.
登録日1994-02-14
公開日1995-01-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors.
Science, 263, 1994
2RCR
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BU of 2rcr by Molmil
STRUCTURE OF THE MEMBRANE-BOUND PROTEIN PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, Coenzyme Q10, ...
著者Chang, C.-H, Norris, J, Schiffer, M.
登録日1991-02-04
公開日1993-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the membrane-bound protein photosynthetic reaction center from Rhodobacter sphaeroides.
Biochemistry, 30, 1991
2P93
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BU of 2p93 by Molmil
Factor xa in complex with the inhibitor 5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
分子名称: 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE, Factor Xa
著者Chang, C.-H.
登録日2007-03-23
公開日2007-07-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa
Bioorg.Med.Chem.Lett., 17, 2007
2P94
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BU of 2p94 by Molmil
Factor xa in complex with the inhibitor 3-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclohexyl)-1H-indole-6-carboxamide
分子名称: 3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-1H-INDOLE-6-CARBOXAMIDE, Factor Xa
著者Chang, C.-H.
登録日2007-03-23
公開日2007-07-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa
Bioorg.Med.Chem.Lett., 17, 2007
2P95
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Factor xa in complex with the inhibitor 5-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido) cyclopentyl)thiophene-2-carboxamide
分子名称: 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE, Factor Xa
著者Chang, C.-H.
登録日2007-03-23
公開日2007-07-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa
Bioorg.Med.Chem.Lett., 17, 2007
2D2W
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BU of 2d2w by Molmil
Solution structure and Dynamics of the DNA-Binding Domain of Myocyte Nuclear Factor
分子名称: Forkhead box protein K1
著者Chuang, W.-J, Chang, C.-H, Jeng, W.-Y, Chu, Y.-P.
登録日2005-09-19
公開日2006-09-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure and Backbone Dynamics of the DNA-Binding Domain of Myocyte Nuclear Factor (Foxk1)
TO BE PUBLISHED
3CEN
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BU of 3cen by Molmil
Factor XA in complex with the inhibitor N-(2-(((5-chloro-2-pyridinyl) amino)sulfonyl)phenyl)-4-(2-oxo-1(2H)-pyridinyl)benzamide
分子名称: COAGULATION FACTOR X, HEAVY CHAIN, LIGHT CHAIN, ...
著者Chang, C.-H.
登録日2008-02-29
公開日2008-05-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Activity Relationships of Anthranilamide-Based Factor Xa Inhibitors Containing Piperidinone and Pyridinone P4 Moieties
Bioorg.Med.Chem.Lett., 18, 2008
1LVE
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BU of 1lve by Molmil
STRUCTURE OF THE VARIABLE DOMAIN OF HUMAN IMMUNOGLOBULIN K-4 LIGHT CHAIN LEN
分子名称: LEN, A VARIABLE DOMAIN FROM KAPPA-4 TYPE
著者Schiffer, M, Huang, D.-B, Chang, C.-H.
登録日1996-07-17
公開日1998-01-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Variable domain structure of kappaIV human light chain Len: high homology to the murine light chain McPC603.
Mol.Immunol., 34, 1997
2A3S
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BU of 2a3s by Molmil
Solution structure and Dynamics of DNA-Binding Domain of Myocyte Nuclear Factor
分子名称: Myocyte Nuclear Factor
著者Chuang, W.-J, Chang, C.-H, Jeng, W.-Y, Chu, Y.-P.
登録日2005-06-27
公開日2006-06-13
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure and Dynamics of DNA-Binding Domain of Myocyte Nuclear Factor
to be published
2C6Y
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Crystal structure of interleukin enhancer-binding factor 1 bound to DNA
分子名称: FORKHEAD BOX PROTEIN K2, INTERLEUKIN 2 PROMOTOR, MAGNESIUM ION
著者Tsai, K.-L, Huang, C.-Y, Chang, C.-H, Sun, Y.-J, Chuang, W.-J, Hsiao, C.-D.
登録日2005-11-15
公開日2006-04-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Human Foxk1A-DNA Complex and its Implications on the Diverse Binding Specificity of Winged Helix/Forkhead Proteins.
J.Biol.Chem., 281, 2006
1DMP
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BU of 1dmp by Molmil
STRUCTURE OF HIV-1 PROTEASE COMPLEX
分子名称: HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE
著者Chang, C.-H.
登録日1996-11-01
公開日1997-11-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Improved cyclic urea inhibitors of the HIV-1 protease: synthesis, potency, resistance profile, human pharmacokinetics and X-ray crystal structure of DMP 450.
Chem.Biol., 3, 1996
1HVH
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BU of 1hvh by Molmil
NONPEPTIDE CYCLIC CYANOGUANIDINES AS HIV PROTEASE INHIBITORS
分子名称: HIV-1 PROTEASE, {[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS(4-HYDROXYMETHYL)METHYL]-4,7-BIS(PHENYLMETHYL) -2H-1,3-DIAZEPIN-2-YLIDENE]CYANAMIDE}
著者Chang, C.-H.
登録日1997-12-13
公開日1998-12-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nonpeptide cyclic cyanoguanidines as HIV-1 protease inhibitors: synthesis, structure-activity relationships, and X-ray crystal structure studies.
J.Med.Chem., 41, 1998
1HWR
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BU of 1hwr by Molmil
MOLECULAR RECOGNITION OF CYCLIC UREA HIV PROTEASE INHIBITORS
分子名称: HIV-1 PROTEASE, [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE
著者Chang, C.-H.
登録日1998-03-20
公開日1999-03-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular recognition of cyclic urea HIV-1 protease inhibitors.
J.Biol.Chem., 273, 1998
1KIG
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BOVINE FACTOR XA
分子名称: ANTICOAGULANT PEPTIDE, FACTOR XA
著者Wei, A, Alexander, R, Chang, C.-H.
登録日1997-04-24
公開日1998-10-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Unexpected binding mode of tick anticoagulant peptide complexed to bovine factor Xa.
J.Mol.Biol., 283, 1998
5LVE
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BU of 5lve by Molmil
STRUCTURE OF THE VARIABLE DOMAIN OF HUMAN IMMUNOGLOBULIN K-4 LIGHT CHAIN LEN
分子名称: BENCE-JONES PROTEIN LEN, ZINC ION
著者Schiffer, M, Huang, D.-B, Chang, C.-H.
登録日1999-02-24
公開日2000-02-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Change in dimerization mode by removal of a single unsatisfied polar residue located at the interface.
Protein Sci., 9, 2000
3GIV
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BU of 3giv by Molmil
Antigen processing influences HIV-specific cytotoxic T lymphocyte immunodominance
分子名称: Beta-2-microglobulin, HIV-1 peptide, HLA class I histocompatibility antigen, ...
著者Stewart-Jones, G, Iversen, A.K.N, Jones, E.Y.
登録日2009-03-06
公開日2009-06-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Antigen processing influences HIV-specific cytotoxic T lymphocyte immunodominance
Nat.Immunol., 10, 2009
3MRU
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BU of 3mru by Molmil
Crystal Structure of Aminoacylhistidine Dipeptidase from Vibrio alginolyticus
分子名称: Aminoacyl-histidine dipeptidase, ZINC ION
著者Chang, C.-Y, Hsieh, Y.-C, Wu, T.-K, Chen, C.-J.
登録日2010-04-29
公開日2010-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure and mutational analysis of aminoacylhistidine dipeptidase from vibrio alginolyticus reveal a new architecture of M20 metallopeptidases
J.Biol.Chem., 285, 2010
4BJL
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LOCW, A LAMBDA 1 TYPE LIGHT-CHAIN DIMER (BENCE-JONES PROTEIN) CRYSTALLIZED IN DISTILLED WATER
分子名称: LOC - LAMBDA 1 TYPE LIGHT-CHAIN DIMER
著者Schiffer, M, Huang, D.B.
登録日1995-05-26
公開日1995-12-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Three quaternary structures for a single protein.
Proc.Natl.Acad.Sci.USA, 93, 1996
1MER
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BU of 1mer by Molmil
HIV-1 MUTANT (I84V) PROTEASE COMPLEXED WITH DMP450
分子名称: HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE
著者Ala, P, Chang, C.-H.
登録日1997-04-11
公開日1998-04-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis of HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with cyclic urea inhibitors.
Biochemistry, 36, 1997
1MEU
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HIV-1 MUTANT (V82F, I84V) PROTEASE COMPLEXED WITH DMP323
分子名称: HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE
著者Ala, P, Chang, C.-H.
登録日1997-04-11
公開日1998-04-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis of HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with cyclic urea inhibitors.
Biochemistry, 36, 1997
1MET
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BU of 1met by Molmil
HIV-1 MUTANT (V82F) PROTEASE COMPLEXED WITH DMP323
分子名称: HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE
著者Ala, P, Chang, C.-H.
登録日1997-04-11
公開日1998-04-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis of HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with cyclic urea inhibitors.
Biochemistry, 36, 1997
1MES
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HIV-1 MUTANT (I84V) PROTEASE COMPLEXED WITH DMP323
分子名称: HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE
著者Ala, P, Chang, C.-H.
登録日1997-04-11
公開日1998-04-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis of HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with cyclic urea inhibitors.
Biochemistry, 36, 1997
1BJM
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LOC NAKS, A LAMBDA 1 TYPE LIGHT-CHAIN DIMER (BENCE-JONES PROTEIN) CRYSTALLIZED IN NAKSO4
分子名称: LOC - LAMBDA 1 TYPE LIGHT-CHAIN DIMER
著者Schiffer, M, Huang, D.B.
登録日1995-05-26
公開日1995-12-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three quaternary structures for a single protein.
Proc.Natl.Acad.Sci.USA, 93, 1996
1QBS
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HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY
分子名称: HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE
著者Ala, P, Chang, C.-H.
登録日1997-04-25
公開日1997-10-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2' structure-activity relationship, and molecular recognition of cyclic ureas.
J.Med.Chem., 39, 1996
1QBR
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HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY
分子名称: HIV-1 PROTEASE, [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
著者Ala, P, Chang, C.-H.
登録日1997-04-25
公開日1997-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV.
J.Med.Chem., 40, 1997

 

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